2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

C9H15N5O2 — CID 136784835

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc[nH]c(=O)c1N)C(N)=O
InChIInChI=1S/C9H15N5O2/c1-4(2)6(7(11)15)14-8-5(10)9(16)13-3-12-8/h3-4,6H,10H2,1-2H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyHPYWFDOWYPJMPP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.73
Rot. Bonds4

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 136784835) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID136784835
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1nc[nH]c(=O)c1N)C(N)=O
InChIInChI=1S/C9H15N5O2/c1-4(2)6(7(11)15)14-8-5(10)9(16)13-3-12-8/h3-4,6H,10H2,1-2H3,(H2,11,15)(H2,12,13,14,16)
InChIKeyHPYWFDOWYPJMPP-UHFFFAOYSA-N
XLogP-0.73
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

n-{2-Amino-6-[(3-methylbutyl)amino]-4-oxo-1,4-dihydropyrimidin-5-yl}formamide
CID 135408631
3-methyl-N-(6-oxo-1H-pyrimidin-5-yl)butanamide
CID 130219534
N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)isobutyramide
CID 135741768
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-methyl-N-[5-(methylideneamino)-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]propanamide
CID 137069333
2-methyl-N-[4-methyl-5-(2-methylbutylamino)-6-oxo-1H-pyrimidin-2-yl]propanamide
CID 137148895
N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
CID 145259461
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 114582496
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (CID 136784835) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is CC(C)C(Nc1nc[nH]c(=O)c1N)C(N)=O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is HPYWFDOWYPJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4(2)6(7(11)15)14-8-5(10)9(16)13-3-12-8/h3-4,6H,10H2,1-2H3,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 225.25 g/mol, XLogP of -0.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 136784835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).